(+)-butaclamol   Click here for help

GtoPdb Ligand ID: 62

Compound class: Synthetic organic
Comment: One of the two enantiomers found in the INN-assigned racemic compound butaclamol.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 23.47
Molecular weight 361.24
XLogP 4.84
No. Lipinski's rules broken 0
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Canonical SMILES OC1(CCN2C(C1)c1cccc3c1C(C2)c1ccccc1CC3)C(C)(C)C
Isomeric SMILES O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C
InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3478 butaclamol
Database Links Click here for help
Specialist databases
GPCRdb Ligand (+)-butaclamol
Other databases
BindingDB Ligand 50008735
CAS Registry No. 56245-67-1 (source: Scifinder)
ChEMBL Ligand CHEMBL8514
GtoPdb PubChem SID 135650036
PubChem CID 37459
Search Google for chemical match using the InChIKey ZZJYIKPMDIWRSN-HWBMXIPRSA-N
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Search PubMed clinical trials butaclamol
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UniChem Compound Search for chemical match using the InChIKey ZZJYIKPMDIWRSN-HWBMXIPRSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZZJYIKPMDIWRSN-HWBMXIPRSA-N
Wikipedia Butaclamol